Structure Database (LMSD)

Common Name
Luteolin 7-lactate
Systematic Name
5,7,3',4'-Tetrahydroxyflavone 7-lactate
Synonyms
LM ID
LMPK12110733
Formula
C18H14O8
Exact Mass
Calculate m/z
358.06887
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Marrubium vulgare (#41230)
Magnoliopsida (#3398)
Flavonoid lactates from leaves of Marrubium vulgare,
Phytochemistry, 1989
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
RWLCWWWLTRAVKI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O8/c1-8(19)18(24)25-10-5-13(22)17-14(23)7-15(26-16(17)6-10)9-2-3-11(20)12(21)4-9/h2-8,19-22H,1H3
SMILES (Click to copy)
C1(OC(=O)C(O)C)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACNS0002
PubChem CID
44258150

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 296.74
Topological Polar Surface Area 137.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.05
Molar Refractivity 90.85

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Created at
-
Updated at
19th Jun 2024